N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

C21H24N2O2 — CID 70722646

IUPACN-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(CC)Cc3ccncc3)c(C)c2c1
InChIInChI=1S/C21H24N2O2/c1-4-6-16-7-8-19-18(13-16)15(3)20(25-19)21(24)23(5-2)14-17-9-11-22-12-10-17/h7-13H,4-6,14H2,1-3H3
InChIKeyACLOABYDOXGXEK-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.75
Rot. Bonds6

About N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide

N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 70722646) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID70722646
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCCc1ccc2oc(C(=O)N(CC)Cc3ccncc3)c(C)c2c1
InChIInChI=1S/C21H24N2O2/c1-4-6-16-7-8-19-18(13-16)15(3)20(25-19)21(24)23(5-2)14-17-9-11-22-12-10-17/h7-13H,4-6,14H2,1-3H3
InChIKeyACLOABYDOXGXEK-UHFFFAOYSA-N
XLogP4.75
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide (CID 70722646) is N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is CCCc1ccc2oc(C(=O)N(CC)Cc3ccncc3)c(C)c2c1.
What is the InChIKey of N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is ACLOABYDOXGXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-6-16-7-8-19-18(13-16)15(3)20(25-19)21(24)23(5-2)14-17-9-11-22-12-10-17/h7-13H,4-6,14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide?
N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-5-propyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70722646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).